Cheminformatic characterization of natural antimicrobial products for the development of new lead compounds

SO Oselusi, A Christoffels, SA Egieyeh - Molecules, 2021 - mdpi.com
The growing antimicrobial resistance (AMR) of pathogenic organisms to currently prescribed
drugs has resulted in the failure to treat various infections caused by these superbugs …

Computational study on temperature driven structure–function relationship of polysaccharide producing bacterial glycosyl transferase enzyme

P González-Faune, I Sánchez-Arévalo, S Sarkar… - Polymers, 2021 - mdpi.com
Glycosyltransferase (GTs) is a wide class of enzymes that transfer sugar moiety, playing a
key role in the synthesis of bacterial exopolysaccharide (EPS) biopolymer. In recent years …

Advanced chemoinformatics applications at the service of natural product discovery

F Ntie-Kang - Physical Sciences Reviews, 2021 - degruyter.com
Natural products (NPs) are known to have several potential uses in agriculture, cosmetics
and pharmaceutical sectors. In the pharmaceutical domain, they have therapeutic effects …

Case studies on computer-based identification of natural products as lead molecules

CV Simoben, F Ntie-Kang, D Robaa… - Physical Sciences …, 2020 - degruyter.com
The development and application of computer-aided drug design/discovery (CADD)
techniques (such as structured-base virtual screening, ligand-based virtual screening and …

[PDF][PDF] Archive ouverte UNIGE

A Alfattani - access.archive-ouverte.unige.ch
The isolation procedure represents a key step for the discovery of new bioactive natural
products (NPs) from complex natural extracts. Today, with the advances in NMR sensitivity …